CID 132350976

(2s)-2-{[(9h-fluoren-9-ylmethoxy)carbonyl]amino}-4-phenoxybutanoic acid

Structural Information

Molecular Formula
C25H23NO5
SMILES
C1=CC=C(C=C1)OCC[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C25H23NO5/c27-24(28)23(14-15-30-17-8-2-1-3-9-17)26-25(29)31-16-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h1-13,22-23H,14-16H2,(H,26,29)(H,27,28)/t23-/m0/s1
InChIKey
DFSBFNQOGULCOD-QHCPKHFHSA-N
Compound name
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-phenoxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.15762 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.16490 198.6
[M+Na]+ 440.14684 202.0
[M-H]- 416.15034 204.9
[M+NH4]+ 435.19144 210.5
[M+K]+ 456.12078 197.9
[M+H-H2O]+ 400.15488 189.8
[M+HCOO]- 462.15582 217.0
[M+CH3COO]- 476.17147 225.2
[M+Na-2H]- 438.13229 199.9
[M]+ 417.15707 201.4
[M]- 417.15817 201.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.